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2-Oxabicyclo[4.1.0]heptane-7-carboxylic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester, (1.alpha.,6.alpha.,7.beta.)-

View entire compound with spectra: 1 MS (GC)

2-Oxabicyclo[4.1.0]heptane-7-carboxylic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester, (1.alpha.,6.alpha.,7.beta.)-
SpectraBase Compound ID A5mlVWVaXAj
InChI InChI=1S/C22H32O3/c1-13-11-15(21(2,3)4)19(16(12-13)22(5,6)7)25-20(23)17-14-9-8-10-24-18(14)17/h11-12,14,17-18H,8-10H2,1-7H3/t14-,17+,18-/m0/s1
InChIKey FPLOJYJFNZGAQS-QGTPRVQTSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jowqw2XiHox
Name 2-Oxabicyclo[4.1.0]heptane-7-carboxylic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester, (1.alpha.,6.alpha.,7.beta.)-
Alternate Name(s) 2,6-Ditert-butyl-4-methylphenyl (1S,6S,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylate 2,6-Ditert-butyl-4-methylphenyl anti-2-oxobicyclo[4.1.0]heptane-7-carboxylate
CAS Registry Number 125641-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-13-11-15(21(2,3)4)19(16(12-13)22(5,6)7)25-20(23)17-14-9-8-10-24-18(14)17/h11-12,14,17-18H,8-10H2,1-7H3/t14-,17+,18-/m0/s1
InChIKey FPLOJYJFNZGAQS-QGTPRVQTSA-N
Molecular Weight 344.495 g/mol
SMILES [C@]1([C@]2(OCCC[C@@]12[H])[H])(C(Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)C)=O)[H]
SPLASH splash10-0560-9400000000-52a35634f4ccfad55c80
Source of Spectrum C-112-1911-4
Wiley ID 1338272